D04KAQ -OEChem-10101305022D 61 63 0 1 0 0 0 0 0999 V2000 9.2365 2.5918 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -0.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5236 -0.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 1.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5162 -2.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8034 -3.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 1.2828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 2.9955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 4.4126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 2.2828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8242 1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 0.9738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 2.2870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2771 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 2.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 3.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1854 -1.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 3.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1561 -4.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 3.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 -3.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 -4.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8993 -4.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4130 -3.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 3.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 1.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 3.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 0.5354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 0.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 0.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 1.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 2.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 2.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 3.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 3.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5671 -2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7328 -1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 4.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 4.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 4.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0262 -4.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0721 -5.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9477 -5.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4844 -5.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -5.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3141 -4.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8278 -2.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -3.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9981 -3.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 4.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 1.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 15 2 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 21 1 0 0 0 0 6 26 1 0 0 0 0 7 26 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 14 9 1 1 0 0 0 9 19 1 0 0 0 0 9 42 1 0 0 0 0 20 10 1 1 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 6 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 48 1 0 0 0 0 25 31 2 0 0 0 0 25 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 M END $$$$